Results
| Compound | Target ID | Protein names | Protein families | Gene symbols | Gene ID | Organism | Score | Rank |
|---|---|---|---|---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | O75496 | Geminin | Geminin family | O75496 | 51053 | Homo sapiens (Human) | 0.000548308 | 1 |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 (Tyr-DNA phosphodiesterase 1) (EC 3.1.4.-) | Tyrosyl-DNA phosphodiesterase family | Q9NUW8 | 55775 | Homo sapiens (Human) | 0.000527831 | 2 | |
| P02545 | Prelamin-A/C [Cleaved into: Lamin-A/C (70 kDa lamin) (Renal carcinoma antigen ... | Intermediate filament family | P02545 | 4000 | Homo sapiens (Human) | 0.000521366 | 3 | |
| P00918 | Carbonic anhydrase 2 (EC 4.2.1.1) (Carbonate dehydratase II) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | P00918 | 760 | Homo sapiens (Human) | 0.000481271 | 4 | |
| Q9Y5N1 | Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97) | G-protein coupled receptor 1 family | Q9Y5N1 | 11255 | Homo sapiens (Human) | 0.000471738 | 5 | |
| P41594 | Metabotropic glutamate receptor 5 (mGluR5) | G-protein coupled receptor 3 family | P41594 | 2915 | Homo sapiens (Human) | 0.000467545 | 6 | |
| P00915 | Carbonic anhydrase 1 (EC 4.2.1.1) (Carbonate dehydratase I) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | P00915 | 759 | Homo sapiens (Human) | 0.000466086 | 7 | |
| P23141 | Liver carboxylesterase 1 (Acyl-coenzyme A:cholesterol acyltransferase) (ACAT) (Brain carboxylesterase hBr1) ... | Type-B carboxylesterase/lipase family | P23141 | 1066 | Homo sapiens (Human) | 0.000465488 | 8 | |
| P31645 | Sodium-dependent serotonin transporter (SERT) (5HT transporter) (5HTT) (Solute carrier family ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A4 subfamily | P31645 | 6532 | Homo sapiens (Human) | 0.000427626 | 9 | |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 (EC 2.1.1.-) (EC 2.1.1.367) (Euchromatic histone-lysine N-methyltransferase ... | Class V-like SAM-binding methyltransferase superfamily, Histone-lysine methyltransferase family, Suvar3-9 subfamily | Q96KQ7 | 10919 | Homo sapiens (Human) | 0.000419282 | 10 | |
| P11511 | Aromatase (EC 1.14.14.14) (CYPXIX) (Cytochrome P-450AROM) (Cytochrome P450 19A1) (Estrogen ... | Cytochrome P450 family | P11511 | 1588 | Homo sapiens (Human) | 0.000417958 | 11 | |
| P34913 | Bifunctional epoxide hydrolase 2 [Includes: Cytosolic epoxide hydrolase 2 (CEH) ... | AB hydrolase superfamily, Epoxide hydrolase family | P34913 | 2053 | Homo sapiens (Human) | 0.000409255 | 12 | |
| O00519 | Fatty-acid amide hydrolase 1 (EC 3.5.1.99) (Anandamide amidohydrolase 1) (Fatty ... | Amidase family | O00519 | 2166 | Homo sapiens (Human) | 0.00040847 | 13 | |
| P23975 | Sodium-dependent noradrenaline transporter (Norepinephrine transporter) (NET) (Solute carrier family 6 ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A2 subfamily | P23975 | 6530 | Homo sapiens (Human) | 0.000406535 | 14 | |
| Q01959 | Sodium-dependent dopamine transporter (DA transporter) (DAT) (Solute carrier family 6 ... | Sodium:neurotransmitter symporter (SNF) (TC 2.A.22) family, SLC6A3 subfamily | Q01959 | 6531 | Homo sapiens (Human) | 0.00040501 | 15 | |
| P52732 | Kinesin-like protein KIF11 (Kinesin-like protein 1) (Kinesin-like spindle protein HKSP) ... | TRAFAC class myosin-kinesin ATPase superfamily, Kinesin family, BimC subfamily | P52732 | 3832 | Homo sapiens (Human) | 0.000389973 | 16 | |
| P27695 | DNA-(apurinic or apyrimidinic site) endonuclease (EC 3.1.11.2) (APEX nuclease) (APEN) ... | DNA repair enzymes AP/ExoA family | P27695 | 328 | Homo sapiens (Human) | 0.000385461 | 17 | |
| P34972 | Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5) | G-protein coupled receptor 1 family | P34972 | 1269 | Homo sapiens (Human) | 0.00037307 | 18 | |
| P06276 | Cholinesterase (EC 3.1.1.8) (Acylcholine acylhydrolase) (Butyrylcholine esterase) (Choline esterase II) ... | Type-B carboxylesterase/lipase family | P06276 | 590 | Homo sapiens (Human) | 0.000372299 | 19 | |
| P19099 | Cytochrome P450 11B2, mitochondrial (Aldosterone synthase) (ALDOS) (Aldosterone-synthesizing enzyme) (CYPXIB2) ... | Cytochrome P450 family | P19099 | 1585 | Homo sapiens (Human) | 0.000369123 | 20 | |
| P10275 | Androgen receptor (Dihydrotestosterone receptor) (Nuclear receptor subfamily 3 group C ... | Nuclear hormone receptor family, NR3 subfamily | P10275 | 367 | Homo sapiens (Human) | 0.000364108 | 21 | |
| P27338 | Amine oxidase [flavin-containing] B (EC 1.4.3.21) (EC 1.4.3.4) (Monoamine oxidase ... | Flavin monoamine oxidase family | P27338 | 4129 | Homo sapiens (Human) | 0.000361997 | 22 | |
| Q16790 | Carbonic anhydrase 9 (EC 4.2.1.1) (Carbonate dehydratase IX) (Carbonic anhydrase ... | Alpha-carbonic anhydrase family | Q16790 | 768 | Homo sapiens (Human) | 0.000352564 | 23 | |
| P15538 | Cytochrome P450 11B1, mitochondrial (CYPXIB1) (Cytochrome P-450c11) (Cytochrome P450C11) (Steroid ... | Cytochrome P450 family | P15538 | 1584 | Homo sapiens (Human) | 0.000351795 | 24 | |
| P78527 | DNA-dependent protein kinase catalytic subunit (DNA-PK catalytic subunit) (DNA-PKcs) (EC ... | PI3/PI4-kinase family | P78527 | 5591 | Homo sapiens (Human) | 0.000348433 | 25 | |
| O00748 | Cocaine esterase (EC 3.1.1.84) (Carboxylesterase 2) (CE-2) (hCE-2) (EC 3.1.1.1) ... | Type-B carboxylesterase/lipase family | O00748 | 8824 | Homo sapiens (Human) | 0.00034786 | 26 | |
| P14416 | D(2) dopamine receptor (Dopamine D2 receptor) | G-protein coupled receptor 1 family | P14416 | 1813 | Homo sapiens (Human) | 0.000339071 | 27 | |
| Q13547 | Histone deacetylase 1 (HD1) (EC 3.5.1.98) (Protein deacetylase HDAC1) (EC ... | Histone deacetylase family, HD type 1 subfamily | Q13547 | 3065 | Homo sapiens (Human) | 0.000330282 | 28 | |
| P03372 | Estrogen receptor (ER) (ER-alpha) (Estradiol receptor) (Nuclear receptor subfamily 3 ... | Nuclear hormone receptor family, NR3 subfamily | P03372 | 2099 | Homo sapiens (Human) | 0.000322916 | 29 | |
| P28845 | 11-beta-hydroxysteroid dehydrogenase 1 (11-DH) (11-beta-HSD1) (EC 1.1.1.146) (7-oxosteroid reductase) (EC ... | Short-chain dehydrogenases/reductases (SDR) family | P28845 | 3290 | Homo sapiens (Human) | 0.000319179 | 30 | |
| P16473 | Thyrotropin receptor (Thyroid-stimulating hormone receptor) (TSH-R) | G-protein coupled receptor 1 family, FSH/LSH/TSH subfamily | P16473 | 7253 | Homo sapiens (Human) | 0.000317883 | 31 | |
| P28223 | 5-hydroxytryptamine receptor 2A (5-HT-2) (5-HT-2A) (Serotonin receptor 2A) | G-protein coupled receptor 1 family | P28223 | 3356 | Homo sapiens (Human) | 0.000310349 | 32 | |
| P10828 | Thyroid hormone receptor beta (Nuclear receptor subfamily 1 group A ... | Nuclear hormone receptor family, NR1 subfamily | P10828 | 7068 | Homo sapiens (Human) | 0.000310156 | 33 | |
| Q12809 | Potassium voltage-gated channel subfamily H member 2 (Eag homolog) (Ether-a-go-go-related ... | Potassium channel family, H (Eag) (TC 1.A.1.20) subfamily, Kv11.1/KCNH2 sub-subfamily | Q12809 | 3757 | Homo sapiens (Human) | 0.000295971 | 34 | |
| Q8NER1 | Transient receptor potential cation channel subfamily V member 1 (TrpV1) ... | Transient receptor (TC 1.A.4) family, TrpV subfamily, TRPV1 sub-subfamily | Q8NER1 | 7442 | Homo sapiens (Human) | 0.000295601 | 35 | |
| P35354 | Prostaglandin G/H synthase 2 (EC 1.14.99.1) (Cyclooxygenase-2) (COX-2) (PHS II) ... | Prostaglandin G/H synthase family | P35354 | 5743 | Homo sapiens (Human) | 0.000293362 | 36 | |
| P08908 | 5-hydroxytryptamine receptor 1A (5-HT-1A) (5-HT1A) (G-21) (Serotonin receptor 1A) | G-protein coupled receptor 1 family, 5-hydroxytryptamine receptor subfamily, HTR1A sub-subfamily | P08908 | 3350 | Homo sapiens (Human) | 0.000288097 | 37 | |
| P28335 | 5-hydroxytryptamine receptor 2C (5-HT-2C) (5-HT2C) (5-HTR2C) (5-hydroxytryptamine receptor 1C) (5-HT-1C) ... | G-protein coupled receptor 1 family | P28335 | 3358 | Homo sapiens (Human) | 0.000283183 | 38 | |
| P09874 | Poly [ADP-ribose] polymerase 1 (PARP-1) (EC 2.4.2.30) (ADP-ribosyltransferase diphtheria toxin-like ... | ARTD/PARP family | P09874 | 142 | Homo sapiens (Human) | 0.000282791 | 39 | |
| P09960 | Leukotriene A-4 hydrolase (LTA-4 hydrolase) (EC 3.3.2.6) (Leukotriene A(4) hydrolase) ... | Peptidase M1 family | P09960 | 4048 | Homo sapiens (Human) | 0.000282651 | 40 | |
| P29274 | Adenosine receptor A2a | G-protein coupled receptor 1 family | P29274 | 135 | Homo sapiens (Human) | 0.000282457 | 41 | |
| P08684 | Cytochrome P450 3A4 (EC 1.14.14.1) (1,4-cineole 2-exo-monooxygenase) (1,8-cineole 2-exo-monooxygenase) (EC ... | Cytochrome P450 family | P08684 | 1576 | Homo sapiens (Human) | 0.000276595 | 42 | |
| P50406 | 5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6) | G-protein coupled receptor 1 family | P50406 | 3362 | Homo sapiens (Human) | 0.000275124 | 43 | |
| Q99705 | Melanin-concentrating hormone receptor 1 (MCH receptor 1) (MCH-R1) (MCHR-1) (G-protein ... | G-protein coupled receptor 1 family | Q99705 | 2847 | Homo sapiens (Human) | 0.00027509 | 44 | |
| P30542 | Adenosine receptor A1 | G-protein coupled receptor 1 family | P30542 | 134 | Homo sapiens (Human) | 0.000271767 | 45 | |
| P22303 | Acetylcholinesterase (AChE) (EC 3.1.1.7) | Type-B carboxylesterase/lipase family | P22303 | 43 | Homo sapiens (Human) | 0.000266303 | 46 | |
| P21554 | Cannabinoid receptor 1 (CB-R) (CB1) (CANN6) | G-protein coupled receptor 1 family | P21554 | 1268 | Homo sapiens (Human) | 0.000266158 | 47 | |
| P49798 | Regulator of G-protein signaling 4 (RGP4) (RGS4) | P49798 | 5999 | Homo sapiens (Human) | 0.000265856 | 48 | ||
| P08842 | Steryl-sulfatase (EC 3.1.6.2) (Arylsulfatase C) (ASC) (Estrone sulfatase) (Steroid sulfatase) ... | Sulfatase family | P08842 | 412 | Homo sapiens (Human) | 0.000265609 | 49 | |
| P14902 | Indoleamine 2,3-dioxygenase 1 (IDO-1) (EC 1.13.11.52) (Indoleamine-pyrrole 2,3-dioxygenase) | Indoleamine 2,3-dioxygenase family | P14902 | 3620 | Homo sapiens (Human) | 0.000261708 | 50 |
Job Information
| Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
|---|---|---|---|---|---|---|---|
| 19191 | 2025-11-17 20:28:29 | Target proteins | Balanced Substructure-Drug-Target Network-Based Inference (bSDTNBI) | Global drug-target interaction (DTI) network for the study of AA13 (version 2022) | Morgan fingerprint, similar to FCFP_4 Download | α = 0.3, β = 0.1, γ = -0.5, k = 2, Top 50 | Download |


